N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H17N3OS2 — CID 2524078

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(C(C)(C)C)cs2)cs1
InChIInChI=1S/C13H17N3OS2/c1-8-14-9(6-18-8)5-11(17)16-12-15-10(7-19-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyCEEXOYQIPCXOKV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.39
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 2524078) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID2524078
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(C(C)(C)C)cs2)cs1
InChIInChI=1S/C13H17N3OS2/c1-8-14-9(6-18-8)5-11(17)16-12-15-10(7-19-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,17)
InChIKeyCEEXOYQIPCXOKV-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 2524078) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2nc(C(C)(C)C)cs2)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CEEXOYQIPCXOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-8-14-9(6-18-8)5-11(17)16-12-15-10(7-19-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 2524078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).